CAS RN: 38302-15-7
Naringenin trimethyl ether
Product Availability
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3 package records2 with current stock1 grade group
- Product code: starshine_CAS38302-15-7
- Purity/Analytical Methods: >99.0%
38302-15-7 / 5,7-dimethoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
Basic Information
CAS
38302-15-7
Multi CAS
Yes
Molecular Formula
C18H18O5
Molecular Weight
314.300000
Exact Mass
314.115424
InChI
InChI=1S/C18H18O5/c1-20-12-6-4-11(5-7-12)15-10-14(19)18-16(22-3)8-13(21-2)9-17(18)23-15/h4-9,15H,10H2,1-3H3
InChIKey
MQFSCAHSIUPLSB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.28
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
84.86
TPSA
53.99
LogP / Solubility
WLOGP
3.42
MLOGP
3.02
XLogP3
2.8
Consensus LogP
3.08
Log S (ESOL)
-4.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.02
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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